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	hartrees
Energy at 0K	-213.322380
Energy at 298.15K	-213.335143
HF Energy	-212.371508
Nuclear repulsion energy	188.510767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3574	3574	0.23
2	A'	3177	3177	44.09
3	A'	3157	3157	71.70
4	A'	3106	3106	47.05
5	A'	3083	3083	13.61
6	A'	3001	3001	154.84
7	A'	1559	1559	1.05
8	A'	1527	1527	2.92
9	A'	1516	1516	12.54
10	A'	1467	1467	2.82
11	A'	1421	1421	0.98
12	A'	1349	1349	5.80
13	A'	1263	1263	1.12
14	A'	1195	1195	13.13
15	A'	1095	1095	6.08
16	A'	927	927	9.44
17	A'	846	846	8.26
18	A'	815	815	58.45
19	A'	433	433	0.31
20	A'	265	265	0.91
21	A'	187	187	0.60
22	A'	112	112	1.34
23	A"	3177	3177	11.80
24	A"	3157	3157	15.83
25	A"	3103	3103	0.70
26	A"	3083	3083	29.53
27	A"	2998	2998	7.74
28	A"	1549	1549	12.69
29	A"	1536	1536	11.97
30	A"	1524	1524	7.96
31	A"	1509	1509	11.07
32	A"	1441	1441	14.12
33	A"	1389	1389	22.05
34	A"	1309	1309	2.70
35	A"	1204	1204	39.71
36	A"	1138	1138	6.19
37	A"	1091	1091	2.18
38	A"	968	968	0.41
39	A"	823	823	0.35
40	A"	432	432	0.60
41	A"	264	264	0.66
42	A"	97	97	1.17

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	-0.287	0.000
C2	0.018	0.519	1.215
C3	0.018	0.519	-1.215
C4	0.018	-0.372	2.453
C5	0.018	-0.372	-2.453
H6	-0.817	-0.864	0.000
H7	-0.836	1.218	1.257
H8	0.926	1.132	1.206
H9	-0.836	1.218	-1.257
H10	0.926	1.132	-1.206
H11	0.074	0.227	3.366
H12	-0.897	-0.972	2.499
H13	0.871	-1.053	2.420
H14	0.074	0.227	-3.366
H15	-0.897	-0.972	-2.499
H16	0.871	-1.053	-2.420

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4586	1.4586	2.4540	2.4540	1.0142	2.1393	2.0723	2.1393	2.0723	3.4054	2.7475	2.6782	3.4054	2.7475	2.6782
C2	1.4586		2.4303	1.5250	3.7744	2.0215	1.1042	1.0958	2.7073	2.6572	2.1713	2.1701	2.1574	4.5907	4.1053	4.0520
C3	1.4586	2.4303		3.7744	1.5250	2.0215	2.7073	2.6572	1.1042	1.0958	4.5907	4.1053	4.0520	2.1713	2.1701	2.1574
C4	2.4540	1.5250	3.7744		4.9051	2.6370	2.1648	2.1547	4.1254	4.0583	1.0935	1.0953	1.0925	5.8495	5.0706	4.9938
C5	2.4540	3.7744	1.5250	4.9051		2.6370	4.1254	4.0583	2.1648	2.1547	5.8495	5.0706	4.9938	1.0935	1.0953	1.0925
H6	1.0142	2.0215	2.0215	2.6370	2.6370		2.4321	2.9113	2.4321	2.9113	3.6486	2.5022	2.9568	3.6486	2.5022	2.9568
H7	2.1393	1.1042	2.7073	2.1648	4.1254	2.4321		1.7651	2.5143	3.0295	2.5015	2.5184	3.0704	4.8149	4.3482	4.6474
H8	2.0723	1.0958	2.6572	2.1547	4.0583	2.9113	1.7651		3.0295	2.4112	2.4926	3.0700	2.5013	4.7376	4.6340	4.2342
H9	2.1393	2.7073	1.1042	4.1254	2.1648	2.4321	2.5143	3.0295		1.7651	4.8149	4.3482	4.6474	2.5015	2.5184	3.0704
H10	2.0723	2.6572	1.0958	4.0583	2.1547	2.9113	3.0295	2.4112	1.7651		4.7376	4.6340	4.2342	2.4926	3.0700	2.5013
H11	3.4054	2.1713	4.5907	1.0935	5.8495	3.6486	2.5015	2.4926	4.8149	4.7376		1.7699	1.7801	6.7318	6.0641	5.9796
H12	2.7475	2.1701	4.1053	1.0953	5.0706	2.5022	2.5184	3.0700	4.3482	4.6340	1.7699		1.7718	6.0641	4.9972	5.2277
H13	2.6782	2.1574	4.0520	1.0925	4.9938	2.9568	3.0704	2.5013	4.6474	4.2342	1.7801	1.7718		5.9796	5.2277	4.8407
H14	3.4054	4.5907	2.1713	5.8495	1.0935	3.6486	4.8149	4.7376	2.5015	2.4926	6.7318	6.0641	5.9796		1.7699	1.7801
H15	2.7475	4.1053	2.1701	5.0706	1.0953	2.5022	4.3482	4.6340	2.5184	3.0700	6.0641	4.9972	5.2277	1.7699		1.7718
H16	2.6782	4.0520	2.1574	4.9938	1.0925	2.9568	4.6474	4.2342	3.0704	2.5013	5.9796	5.2277	4.8407	1.7801	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.653	N1	C2	H7	112.438
N1	C2	H8	107.589	N1	C3	C5	110.653
N1	C3	H9	112.438	N1	C3	H10	107.589
C2	N1	C3	112.831	C2	N1	H6	108.320
C2	C4	H11	110.964	C2	C4	H12	110.761
C2	C4	H13	109.917	C3	N1	H6	108.320
C3	C5	H14	110.964	C3	C5	H15	110.761
C3	C5	H16	109.917	C4	C2	H7	109.812
C4	C2	H8	109.514	C5	C3	H8	150.935
C5	C3	H10	109.514	H7	C2	H8	106.702
H9	C3	H10	106.702	H11	C4	H12	107.927
H11	C4	H13	109.037	H12	C4	H13	108.159
H14	C5	H15	107.927	H14	C5	H16	109.037
H15	C5	H16	108.159

All results from a given calculation for NH(C₂H₅)₂ (diethylamine)

using model chemistry: MP3=FULL/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for NH(C2H5)2 (diethylamine)

using model chemistry: MP3=FULL/6-311G**

States and conformations

All results from a given calculation for NH(C₂H₅)₂ (diethylamine)